丁位己内酯

Description

γ-Hexalactone is identified by CAS 823-22-3, molecular formula C6H10O2 and molecular weight 114.07 g/mol. UNII C8456O4551; ChEBI 172408; InChIKey RZTOWFMDBDPERY-UHFFFAOYSA-N. Boiling Point: 110.00 to 112.00 °C. @ 15.00 mm Hg; Boiling Point: 110-112 °C (15 mm Hg); Melting Point: 31.00 °C. @ 760.00 mm Hg.

Identification

CAS Registry Number	823-22-3
PubChem CID	13204
Molecular formula	C6H10O2
Molecular weight	114.07 g/mol
IUPAC name	6-methyloxan-2-one
InChIKey	RZTOWFMDBDPERY-UHFFFAOYSA-N
UNII (FDA)	C8456O4551
ChEBI ID	CHEBI:172408
FEMA number	3167
JECFA number	224

Computed Descriptors

Molecular Weight	114.14
XLogP3	1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	114.068079557
Monoisotopic Mass	114.068079557
Topological Polar Surface Area	26.3
Heavy Atom Count	8
Formal Charge	0

Physical & Chemical Properties

Boiling Point	110.00 to 112.00 °C. @ 15.00 mm Hg
Boiling Point	110-112 °C (15 mm Hg)
Melting Point	31.00 °C. @ 760.00 mm Hg
Density	1.0162 (20 °C/20 °C)
Refractive Index	1.449-1.453

Physical description & handling notes

• Solid
• colourless to pale yellowish liquid with a creamy, fruity, coconut odour
• soluble in alcohol, oil, propylene glycol, and ether; slightly soluble in water
• (in ethanol)

Regulatory Status

Regulatory & Food Contact	FDA Substance added to food: FLAVORING AGENT OR ADJUVANT FLAVOURING_AGENT: Flavouring Agent Flavoring Agents Spice No safety concern at current levels of intake when used as a flavouring agent TRS 884-JECFA 49/42
GHS notification summary	7% (101 / 1451)

GHS Hazard Classification

GHS notification summary	7% (101 / 1451)
Reported hazard statements	H319 (93%)

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index

Synonyms

823-22-3; delta-Hexalactone; delta-Hexanolactone; 6-methyloxan-2-one; delta-Caprolactone; 5-Methyl-delta-valerolactone; 5-Hydroxyhexanoic acid lactone; .delta.-Caprolactone; 2H-Pyran-2-one, tetrahydro-6-methyl-; Tetrahydro-6-methyl-2H-pyran-2-one; Hexanolactone; 5-Hexanolide; .delta.-Hexalactone; 6-Methyltetrahydro-2H-pyran-2-one; 6-Methylvalerolactone; delta-Methyl-delta-valerolactone

Frequently Asked Questions

What are the CAS number and molecular formula of γ-Hexalactone?

CAS 823-22-3; molecular formula C6H10O2; molecular weight 114.07 g/mol.

What other names is γ-Hexalactone known by?

823-22-3, delta-Hexalactone, delta-Hexanolactone, 6-methyloxan-2-one, delta-Caprolactone, 5-Methyl-delta-valerolactone.

What is the regulatory status of γ-Hexalactone?

Documented regulatory listings: FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; FLAVOURING_AGENT: Flavouring Agent; Flavoring Agents.

Is γ-Hexalactone classified as hazardous?

7% of GHS notifications report no hazard classification (101 of 1451).

What are the key physical properties of γ-Hexalactone?

Boiling Point: 110.00 to 112.00 °C. @ 15.00 mm Hg; Boiling Point: 110-112 °C (15 mm Hg); Melting Point: 31.00 °C. @ 760.00 mm Hg; Density: 1.0162 (20 °C/20 °C).

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.